Related papers: Linearized self-consistent quasiparticle GW method…
Self consistent GW approach (scGW) has been applied to calculate the ground state properties (equilibrium Wigner-Seitz radius $S_{WZ}$ and bulk modulus $B$) of 3d transition metals Sc, Ti, V, Fe, Co, Ni, and Cu. The approach systematically…
In this work, we present a wireless localization method that operates on self-supervised and unlabeled channel estimates. Our self-supervising method learns general-purpose channel features robust to fading and system impairments. Learned…
The physical nature of pseudogap phase is one of the most important and intriguing problems towards understanding the key mechanism of high temperature superconductivity in cuprates. Theoretically, the square-lattice $t$-$J$ model is widely…
A stabilizer free weak Galerkin (WG) finite element method on polytopal mesh has been introduced in Part I of this paper (J. Comput. Appl. Math, 371 (2020) 112699. arXiv:1906.06634.) Removing stabilizers from discontinuous finite element…
Generative modeling is one of the most promising applications of quantum machine learning, yet training and deploying Quantum Generative Models (QGMs) on near-term hardware remains effectively intractable due to prohibitive gradient…
Group IB metal halides (CuX and AgX, X=Cl, Br and I) are widely used in optoelectronic devices and photochemical catalysis due to their appropriate optical and electronic properties. First-principles calculations have confronted…
Half-metallic Heusler compounds are of significant interest for spintronics. For device fabrication, compounds that can be epitaxially grown on III-V semiconductors are particularly attractive. We present a first-principles investigation of…
We develop the framework for a non-intrusive, quadrature-based method for approximate balanced truncation (QuadBT) of linear systems with quadratic outputs, thus extending the applicability of QuadBT, which was originally designed for…
We introduce a computationally efficient method to calculate the quasiparticle (QP) band structure of general van der Waals (vdW) heterostructures. A layer-projected scissors (LAPS) operator, which depends on the one-body density matrix, is…
The quasilinearization method (QLM) of solving nonlinear differential equations is applied to the quantum mechanics by casting the Schr\"{o}dinger equation in the nonlinear Riccati form. The method, whose mathematical basis in physics was…
Chu et al. recently reported extensive results of local density approximation (LDA) and of four (4) different Green function and dressed Coulomb (GW) approximation calculations of electronic properties of several semiconductors and…
We combine the single site dynamical mean field theory (DMFT) with the non-local GW method. This is done fully self-consistently and we apply our formalism to a one-band Hubbard model. Eventually at self-consistency the full self-energy and…
We investigate a semilinear wave equation with energy-critical nonlinearity and a nonlinear damping mechanism driven by the total energy of the system. The model combines the quintic defocusing term with a time-dependent dissipation of the…
This paper introduces and rigorously analyzes a least-squares weak Galerkin (LS-WG) finite element method for the severely ill-posed Cauchy problem associated with the Helmholtz equation. By utilizing a weak Laplacian operator defined on a…
Employing the $G_0W_0$ approximation of Hedin's $GW$ approach one can obtain quasi-particle energies of extended systems and molecules with good accuracy. However, for many materials, semi-local exchange-correlation functionals are…
We present a general numerical approach to construct local Kohn-Sham potentials from orbital-dependent functionals within the all-electron full-potential linearized augmented-plane-wave (FLAPW) method, in which core and valence electrons…
To obtain accurate independent-particle descriptions for ferromagnetic two-dimensional van der Waals materials, we apply the quasiparticle self-consistent $GW$ (QSGW) method to VI$_3$, CrI$_3$, CrGeTe$_3$, and Fe$_3$GeTe$_2$. QSGW provides…
Force-based multiphysics coupling methods have become popular since they provide a simple and efficient coupling mechanism, avoiding the difficulties in formulating and implementing a consistent coupling energy. They are also the only known…
We describe the software package SPEX, which allows first-principles calculations of quasiparticle and collective electronic excitations in solids using techniques from many-body perturbation theory. The implementation is based on the…
This letter introduces a novel compact and lossless quantum microgrid formation (qMGF) approach to achieve efficient operational optimization of the power system and improvement of resilience. This is achieved through lossless reformulation…